REMARK  Name = BDB044530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.902  -0.503   0.476  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -2.093   0.092  -0.072  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -3.185  -0.589   0.479  0.00  0.00    +0.085 A 
ATOM      4  C   LIG    1       -4.509  -0.275   0.168  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -4.767   0.756  -0.727  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -3.713   1.458  -1.298  0.00  0.00    +0.004 A 
ATOM      7  F   LIG    1       -5.523  -0.954   0.720  0.00  0.00    -0.203 F 
ATOM      8  N   LIG    1       -2.693  -1.550   1.321  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1       -3.254  -2.196   1.859  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.383   1.137  -0.981  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -1.333  -1.511   1.330  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   1  21
ATOM     12  O   LIG    1        0.666   1.663  -1.337  0.00  0.00    -0.285 OA
ATOM     13  C   LIG    1        1.171   0.840  -0.614  0.00  0.00    +0.214 C 
ATOM     14  C   LIG    1        2.591   0.633  -0.392  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        2.662  -0.419   0.514  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1        3.898  -0.868   0.939  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.045  -0.239   0.434  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.944   0.825  -0.484  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        1.409  -0.924   0.910  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1        3.696   1.277  -0.912  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        0.504  -0.214   0.271  0.00  0.00    +0.124 C 
ENDBRANCH   1  21
BRANCH  11  22
ATOM     22  O   LIG    1       -0.664  -2.372   2.091  0.00  0.00    -0.493 OA
ATOM     23  H   LIG    1        0.289  -2.175   1.952  0.00  0.00    +0.294 HD
ENDBRANCH  11  22
TORSDOF 2